Kim Tae-Hoon, Jang Jae Gyu, Kim Sung Hyun, Hong Jong-In
Department of Chemistry, Seoul National University, Seoul, 08826, South Korea.
Department of Carbon Convergence Engineering, Wonkwang University, Iksan, 54538, South Korea.
Adv Sci (Weinh). 2023 Nov;10(33):e2302922. doi: 10.1002/advs.202302922. Epub 2023 Oct 20.
Hybridizing single-walled carbon nanotubes (SWCNTs) with π-conjugated organic small molecules (π-OSMs) offers a promising approach for producing high-performance thermoelectric (TE) materials through the facile optimization of the molecular geometry and energy levels of π-OSMs. Designing a twisted molecular structure for the π-OSM with the highest occupied molecular orbital energy level comparable to the valence band of SWCNTs enables effective energy filtering between the two materials. The SWCNTs/twisted π-OSM hybrid exhibits a high Seebeck coefficient of 110.4 ± 2.6 µV K , leading to a significantly improved power factor of 2,136 µW m K , which is 2.6 times higher than that of SWCNTs. Moreover, a maximum figure of merit over 0.13 at room temperature is achieved via the efficient TE transport of the SWCNTs/twisted π-OSM hybrid. The study highlights the promising potential of optimizing molecular engineering of π-OSMs for hybridization with SWCNTs to create next-generation, efficient TE materials.
将单壁碳纳米管（SWCNT）与π共轭有机小分子（π-OSM）杂交，为通过轻松优化π-OSM的分子几何结构和能级来制备高性能热电（TE）材料提供了一种很有前景的方法。为π-OSM设计一种扭曲的分子结构，使其最高占据分子轨道能级与SWCNT的价带相当，能够在两种材料之间实现有效的能量过滤。SWCNT/扭曲π-OSM杂化物表现出110.4±2.6μV K的高塞贝克系数，导致功率因数显著提高，达到2136μW m K，比SWCNT高2.6倍。此外，通过SWCNT/扭曲π-OSM杂化物的高效TE传输，在室温下实现了超过0.13的最大品质因数。该研究突出了优化π-OSM分子工程以与SWCNT杂交以创造下一代高效TE材料的巨大潜力。
